2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide

C12H17N3O4S — CID 79833534

IUPAC2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCOC(CO)C1
InChIInChI=1S/C12H17N3O4S/c13-11(18)9-1-4-20-12(9)14-10(17)6-15-2-3-19-8(5-15)7-16/h1,4,8,16H,2-3,5-7H2,(H2,13,18)(H,14,17)
InChIKeyJGVQIPWUKYTQDC-UHFFFAOYSA-N
MW299.35 g/mol
LogP-0.52
Rot. Bonds5

About 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide

2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide (PubChem CID 79833534) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
PubChem CID79833534
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCOC(CO)C1
InChIInChI=1S/C12H17N3O4S/c13-11(18)9-1-4-20-12(9)14-10(17)6-15-2-3-19-8(5-15)7-16/h1,4,8,16H,2-3,5-7H2,(H2,13,18)(H,14,17)
InChIKeyJGVQIPWUKYTQDC-UHFFFAOYSA-N
XLogP-0.52
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(2S)-2-methylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 30238407
2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 36732639
2-[[2-(2-phenylmorpholin-4-yl)acetyl]amino]thiophene-3-carboxamide
CID 71942816
4-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]benzamide
CID 79834650
2-[[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 115647989
2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 65249970
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81206082
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965045
2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide (CID 79833534) is 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN1CCOC(CO)C1.
What is the InChIKey of 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide?
The InChIKey is JGVQIPWUKYTQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c13-11(18)9-1-4-20-12(9)14-10(17)6-15-2-3-19-8(5-15)7-16/h1,4,8,16H,2-3,5-7H2,(H2,13,18)(H,14,17).
What are the key properties of 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide?
2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide has a molecular weight of 299.35 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 79833534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).